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852227-86-2 | 5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole
CAS No: 852227-86-2 Catalog No: AG004M5H MDL No:MFCD07368502
Product Description
Catalog Number:
AG004M5H
Chemical Name:
5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole
CAS Number:
852227-86-2
Molecular Formula:
C6H9ClN2
Molecular Weight:
144.6021
MDL Number:
MFCD07368502
IUPAC Name:
5-(chloromethyl)-1,3-dimethylpyrazole
InChI:
InChI=1S/C6H9ClN2/c1-5-3-6(4-7)9(2)8-5/h3H,4H2,1-2H3
InChI Key:
SGEZKPNUNBVVLB-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1CCl)C
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.602g/mol
Monoisotopic Mass:
144.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| 5-Chloro-methyl-1,3-dimethyl-1H-pyrazole. | Acta crystallographica. Section E, Structure reports online 20101101 |
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